2-[4-(5-acetamido-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(5-acetamido-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[4-(5-acetamido-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[4-(5-acetamido-2-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[4-(5-acetamido-2-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[4-(5-acetamido-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C)OC

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C)OC

InChI

InChI=1S/C19H30N4O5S/c1-5-14(2)20-19(25)13-22-8-10-23(11-9-22)29(26,27)18-12-16(21-15(3)24)6-7-17(18)28-4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,20,25)(H,21,24)/p+1/t14-/m0/s1